Drug Information

Drug ID:  NPD9080
Drug Name:  Niacinamide
Molecular Formula:  C6H6N2O
Canonical SMILES:  OC(=N)c1cccnc1
Standard InCHI:  InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
Standard InCHIKey:  DFPAKSUCGFBDDF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9080

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC306397
High Similarity 0.9672 NPC212125
High Similarity 0.9512 NPC165370
High Similarity 0.9077 NPC29702
High Similarity 0.8594 NPC151489
Intermediate Similarity 0.8417 NPC167400
Intermediate Similarity 0.8345 NPC471323
Intermediate Similarity 0.8276 NPC138018
Intermediate Similarity 0.8182 NPC76540
Intermediate Similarity 0.8182 NPC471313
Intermediate Similarity 0.8182 NPC471311
Intermediate Similarity 0.8175 NPC114310
Intermediate Similarity 0.8134 NPC315320
Intermediate Similarity 0.8015 NPC322488
Intermediate Similarity 0.7984 NPC27802
Intermediate Similarity 0.7971 NPC328029
Intermediate Similarity 0.7958 NPC159630
Intermediate Similarity 0.7958 NPC230085
Intermediate Similarity 0.7941 NPC324611
Intermediate Similarity 0.7941 NPC174421
Intermediate Similarity 0.7895 NPC319456
Intermediate Similarity 0.7857 NPC235843
Intermediate Similarity 0.7852 NPC113812
Intermediate Similarity 0.7833 NPC83987
Intermediate Similarity 0.7823 NPC312860
Intermediate Similarity 0.7815 NPC97367
Intermediate Similarity 0.781 NPC256893
Intermediate Similarity 0.7793 NPC112741
Intermediate Similarity 0.777 NPC263455
Intermediate Similarity 0.7763 NPC471178
Intermediate Similarity 0.7746 NPC318935
Intermediate Similarity 0.7712 NPC98187
Intermediate Similarity 0.7682 NPC131718
Intermediate Similarity 0.7681 NPC471322
Intermediate Similarity 0.766 NPC471312
Intermediate Similarity 0.7632 NPC471177
Intermediate Similarity 0.7632 NPC59779
Intermediate Similarity 0.7632 NPC124542
Intermediate Similarity 0.7612 NPC290094
Intermediate Similarity 0.7591 NPC89490
Intermediate Similarity 0.7584 NPC107287
Intermediate Similarity 0.7582 NPC473057
Intermediate Similarity 0.7557 NPC297486
Intermediate Similarity 0.7557 NPC240136
Intermediate Similarity 0.7557 NPC471402
Intermediate Similarity 0.7556 NPC27740
Intermediate Similarity 0.7536 NPC475090
Intermediate Similarity 0.7536 NPC475105
Intermediate Similarity 0.7536 NPC329896
Intermediate Similarity 0.75 NPC245244
Intermediate Similarity 0.75 NPC146373
Intermediate Similarity 0.75 NPC91958
Intermediate Similarity 0.75 NPC143603
Intermediate Similarity 0.75 NPC166424
Intermediate Similarity 0.7484 NPC108469
Intermediate Similarity 0.7468 NPC102423
Intermediate Similarity 0.7463 NPC265605
Intermediate Similarity 0.7463 NPC48564
Intermediate Similarity 0.7463 NPC182570
Intermediate Similarity 0.746 NPC231655
Intermediate Similarity 0.7452 NPC273532
Intermediate Similarity 0.7451 NPC322976
Intermediate Similarity 0.7451 NPC324203
Intermediate Similarity 0.7451 NPC63338
Intermediate Similarity 0.7445 NPC169625
Intermediate Similarity 0.7445 NPC202957
Intermediate Similarity 0.7434 NPC212742
Intermediate Similarity 0.7421 NPC476419
Intermediate Similarity 0.7405 NPC84268
Intermediate Similarity 0.7376 NPC330326
Intermediate Similarity 0.7365 NPC302159
Intermediate Similarity 0.7365 NPC220523
Intermediate Similarity 0.7338 NPC471589
Intermediate Similarity 0.7303 NPC63562
Intermediate Similarity 0.7299 NPC476322
Intermediate Similarity 0.7297 NPC159856
Intermediate Similarity 0.7267 NPC96890
Intermediate Similarity 0.7261 NPC41717
Intermediate Similarity 0.7244 NPC162268
Intermediate Similarity 0.7234 NPC282398
Intermediate Similarity 0.7226 NPC46358
Intermediate Similarity 0.7208 NPC132680
Intermediate Similarity 0.7208 NPC269919
Intermediate Similarity 0.7195 NPC48938
Intermediate Similarity 0.7188 NPC313791
Intermediate Similarity 0.7183 NPC101165
Intermediate Similarity 0.7178 NPC317010
Intermediate Similarity 0.717 NPC256828
Intermediate Similarity 0.717 NPC314940
Intermediate Similarity 0.717 NPC473764
Intermediate Similarity 0.7161 NPC230869
Intermediate Similarity 0.716 NPC184964
Intermediate Similarity 0.7152 NPC288445
Intermediate Similarity 0.7133 NPC161292
Intermediate Similarity 0.7121 NPC473901
Intermediate Similarity 0.7115 NPC25899
Intermediate Similarity 0.7105 NPC105818
Intermediate Similarity 0.7105 NPC24678
Intermediate Similarity 0.7099 NPC150048
Intermediate Similarity 0.7099 NPC203754
Intermediate Similarity 0.7097 NPC129721
Intermediate Similarity 0.7095 NPC60553
Intermediate Similarity 0.7091 NPC220765
Intermediate Similarity 0.707 NPC71079
Intermediate Similarity 0.707 NPC48192
Intermediate Similarity 0.7067 NPC314372
Intermediate Similarity 0.7055 NPC65408
Intermediate Similarity 0.7048 NPC204717
Intermediate Similarity 0.7048 NPC207851
Intermediate Similarity 0.7047 NPC190296
Intermediate Similarity 0.7042 NPC476131
Intermediate Similarity 0.7029 NPC329825
Intermediate Similarity 0.7025 NPC211187
Intermediate Similarity 0.7025 NPC263439
Intermediate Similarity 0.7025 NPC474217
Intermediate Similarity 0.7024 NPC46580
Intermediate Similarity 0.7013 NPC469786
Intermediate Similarity 0.7013 NPC469763
Intermediate Similarity 0.7013 NPC469765
Intermediate Similarity 0.7013 NPC73952
Intermediate Similarity 0.7013 NPC25008
Intermediate Similarity 0.7013 NPC469760
Intermediate Similarity 0.7013 NPC259644
Intermediate Similarity 0.7006 NPC279918
Intermediate Similarity 0.7006 NPC314002
Remote Similarity 0.6993 NPC69914
Remote Similarity 0.6982 NPC472289
Remote Similarity 0.6981 NPC85918
Remote Similarity 0.6968 NPC212376
Remote Similarity 0.6968 NPC211572
Remote Similarity 0.6968 NPC80597
Remote Similarity 0.6968 NPC75540
Remote Similarity 0.6968 NPC33229
Remote Similarity 0.6968 NPC70922
Remote Similarity 0.6964 NPC171171
Remote Similarity 0.6962 NPC282231
Remote Similarity 0.6948 NPC153769
Remote Similarity 0.6943 NPC84508
Remote Similarity 0.6937 NPC127730
Remote Similarity 0.6937 NPC278366
Remote Similarity 0.6934 NPC11863
Remote Similarity 0.6923 NPC469785
Remote Similarity 0.6923 NPC141353
Remote Similarity 0.6909 NPC164340
Remote Similarity 0.6879 NPC469762
Remote Similarity 0.6842 NPC467188
Remote Similarity 0.6835 NPC92796
Remote Similarity 0.6835 NPC135141
Remote Similarity 0.6832 NPC160105
Remote Similarity 0.6832 NPC474561
Remote Similarity 0.6832 NPC54988
Remote Similarity 0.6832 NPC49954
Remote Similarity 0.6828 NPC82295
Remote Similarity 0.6813 NPC311276
Remote Similarity 0.681 NPC252590
Remote Similarity 0.681 NPC158129
Remote Similarity 0.681 NPC249614
Remote Similarity 0.679 NPC63751
Remote Similarity 0.6786 NPC56856
Remote Similarity 0.6783 NPC278451
Remote Similarity 0.6768 NPC259545
Remote Similarity 0.6768 NPC314603
Remote Similarity 0.6763 NPC324149
Remote Similarity 0.6763 NPC99666
Remote Similarity 0.6757 NPC96102
Remote Similarity 0.6755 NPC476454
Remote Similarity 0.6753 NPC105811
Remote Similarity 0.6753 NPC471957
Remote Similarity 0.6752 NPC209362
Remote Similarity 0.675 NPC47298
Remote Similarity 0.675 NPC315214
Remote Similarity 0.6748 NPC164664
Remote Similarity 0.6746 NPC284559
Remote Similarity 0.6746 NPC284678
Remote Similarity 0.6744 NPC83111
Remote Similarity 0.6743 NPC242209
Remote Similarity 0.6736 NPC313823
Remote Similarity 0.6733 NPC280853
Remote Similarity 0.6726 NPC161887
Remote Similarity 0.6725 NPC278434
Remote Similarity 0.6724 NPC329541
Remote Similarity 0.6713 NPC135488
Remote Similarity 0.6711 NPC84911
Remote Similarity 0.6711 NPC314102
Remote Similarity 0.6711 NPC251722
Remote Similarity 0.6711 NPC105127
Remote Similarity 0.6708 NPC32028
Remote Similarity 0.6708 NPC194640
Remote Similarity 0.6708 NPC476118
Remote Similarity 0.6708 NPC159319
Remote Similarity 0.6707 NPC42979
Remote Similarity 0.6707 NPC232340
Remote Similarity 0.6689 NPC245657
Remote Similarity 0.6689 NPC285016
Remote Similarity 0.6687 NPC78020
Remote Similarity 0.6687 NPC224764
Remote Similarity 0.6686 NPC32771
Remote Similarity 0.6686 NPC326634
Remote Similarity 0.6667 NPC192315
Remote Similarity 0.6667 NPC471294

Drug Structure

External Identifiers

TTD   DAP001410
DrugBank   DB02701
ChEMBL   CHEMBL1140
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00036
PubChem CID  
ChEBI   17154
CAS Number  98-92-0

Drug Properties

Molecular Weight  122.05
ALogP  -0.0816
MLogP  1.79
XLogP  1.043
HDA  3
HBD  2
Rotatable Bonds  2
TPSA  56.97
RO5 Violation  0